1-[(3S)-pyrrolidin-3-yl]triazole

C6H10N4 — CID 54436002

IUPAC1-[(3S)-pyrrolidin-3-yl]triazole
SMILESc1cn([C@H]2CCNC2)nn1
InChIInChI=1S/C6H10N4/c1-2-7-5-6(1)10-4-3-8-9-10/h3-4,6-7H,1-2,5H2/t6-/m0/s1
InChIKeyWKTIBPHCHGGVEN-LURJTMIESA-N
MW138.17 g/mol
LogP-0.19
Rot. Bonds1

About 1-[(3S)-pyrrolidin-3-yl]triazole

1-[(3S)-pyrrolidin-3-yl]triazole (PubChem CID 54436002) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]triazole
PubChem CID54436002
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-[(3S)-pyrrolidin-3-yl]triazole
SMILESc1cn([C@H]2CCNC2)nn1
InChIInChI=1S/C6H10N4/c1-2-7-5-6(1)10-4-3-8-9-10/h3-4,6-7H,1-2,5H2/t6-/m0/s1
InChIKeyWKTIBPHCHGGVEN-LURJTMIESA-N
XLogP-0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]triazole?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]triazole (CID 54436002) is 1-[(3S)-pyrrolidin-3-yl]triazole.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]triazole?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]triazole is c1cn([C@H]2CCNC2)nn1.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]triazole?
The InChIKey is WKTIBPHCHGGVEN-LURJTMIESA-N. The full InChI is InChI=1S/C6H10N4/c1-2-7-5-6(1)10-4-3-8-9-10/h3-4,6-7H,1-2,5H2/t6-/m0/s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]triazole?
1-[(3S)-pyrrolidin-3-yl]triazole has a molecular weight of 138.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-pyrrolidin-3-yl]triazole is sourced from PubChem (CID 54436002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).